6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid

C23H20N2O5 — CID 145438420

IUPAC6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid
SMILESCNOC(=O)COc1ccc2c(C(=O)O)cn(Cc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C23H20N2O5/c1-24-30-22(26)14-29-18-8-9-19-20(23(27)28)13-25(21(19)11-18)12-15-6-7-16-4-2-3-5-17(16)10-15/h2-11,13,24H,12,14H2,1H3,(H,27,28)
InChIKeyBGKWZOKHQSDVJI-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.60
Rot. Bonds7

About 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid

6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid (PubChem CID 145438420) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid
PubChem CID145438420
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid
SMILESCNOC(=O)COc1ccc2c(C(=O)O)cn(Cc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C23H20N2O5/c1-24-30-22(26)14-29-18-8-9-19-20(23(27)28)13-25(21(19)11-18)12-15-6-7-16-4-2-3-5-17(16)10-15/h2-11,13,24H,12,14H2,1H3,(H,27,28)
InChIKeyBGKWZOKHQSDVJI-UHFFFAOYSA-N
XLogP3.60
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-fluoro-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid
CID 145438433
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
(1-benzyl-3-carboxyindol-6-yl)-ethyl-oxoazanium
CID 123958780
6-(2-morpholin-4-ylethoxy)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145438414
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112
1-(naphthalen-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 68637536
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate
CID 86603519
2,2,2-trichloro-1-[4-fluoro-6-methoxy-1-(naphthalen-2-ylmethyl)indol-3-yl]ethanone
CID 145438568

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid?
The IUPAC name of 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid (CID 145438420) is 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid.
What is the SMILES notation for 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid?
The canonical SMILES for 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid is CNOC(=O)COc1ccc2c(C(=O)O)cn(Cc3ccc4ccccc4c3)c2c1.
What is the InChIKey of 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid?
The InChIKey is BGKWZOKHQSDVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-24-30-22(26)14-29-18-8-9-19-20(23(27)28)13-25(21(19)11-18)12-15-6-7-16-4-2-3-5-17(16)10-15/h2-11,13,24H,12,14H2,1H3,(H,27,28).
What are the key properties of 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid?
6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid has a molecular weight of 404.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylaminooxy)-2-oxoethoxy]-1-(naphthalen-2-ylmethyl)indole-3-carboxylic acid is sourced from PubChem (CID 145438420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).